CID 135446356

Chembl375906

Structural Information

Molecular Formula
C19H17FN4O3
SMILES
CN(C1=CC=CC=C1)C2=NC(=C(C(=O)N2)O)C(=O)NCC3=CC=C(C=C3)F
InChI
InChI=1S/C19H17FN4O3/c1-24(14-5-3-2-4-6-14)19-22-15(16(25)18(27)23-19)17(26)21-11-12-7-9-13(20)10-8-12/h2-10,25H,11H2,1H3,(H,21,26)(H,22,23,27)
InChIKey
AETQRFCHSOXFBP-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(N-methylanilino)-6-oxo-1H-pyrimidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

368.12848 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13576 184.9
[M+Na]+ 391.11770 191.6
[M-H]- 367.12120 189.9
[M+NH4]+ 386.16230 192.5
[M+K]+ 407.09164 186.0
[M+H-H2O]+ 351.12574 173.0
[M+HCOO]- 413.12668 204.5
[M+CH3COO]- 427.14233 219.6
[M+Na-2H]- 389.10315 187.8
[M]+ 368.12793 182.9
[M]- 368.12903 182.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.